| SpectraBase Compound ID | CxsvI9NTKdg |
|---|---|
| InChI | InChI=1S/C30H59NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(33)23(31-26(34)19-4-2)22-38-30-29(37)28(36)27(35)25(21-32)39-30/h23-25,27-30,32-33,35-37H,3-22H2,1-2H3,(H,31,34) |
| InChIKey | QZINHDLVXMLNDQ-UHFFFAOYNA-N |
| Mol Weight | 561.8 g/mol |
| Molecular Formula | C30H59NO8 |
| Exact Mass | 561.424068 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | I6oBSlEJVrl |
|---|---|
| Name | HexCer 20:0;2O/4:0 |
| Classification | Sphingolipids [SP] |
| Comments | Hexosylceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 561.424067856 u |
| Formula | C30H59NO8 |
| InChI | InChI=1S/C30H59NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(33)23(31-26(34)19-4-2)22-38-30-29(37)28(36)27(35)25(21-32)39-30/h23-25,27-30,32-33,35-37H,3-22H2,1-2H3,(H,31,34) |
| InChIKey | QZINHDLVXMLNDQ-UHFFFAOYNA-N |
| Ion Polarity | N |
| Literature Reference | Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI | https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion | [M+CH3COO]- |
| SMILES | CCCCCCCCCCCCCCCCCC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |